1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone

C17H25NO2 — CID 60689525

IUPAC1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone
SMILESCCCN(CCOc1ccccc1C(C)=O)CC1CC1
InChIInChI=1S/C17H25NO2/c1-3-10-18(13-15-8-9-15)11-12-20-17-7-5-4-6-16(17)14(2)19/h4-7,15H,3,8-13H2,1-2H3
InChIKeyMPMALWZGNWJICK-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.39
Rot. Bonds9

About 1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone

1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone (PubChem CID 60689525) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone
PubChem CID60689525
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone
SMILESCCCN(CCOc1ccccc1C(C)=O)CC1CC1
InChIInChI=1S/C17H25NO2/c1-3-10-18(13-15-8-9-15)11-12-20-17-7-5-4-6-16(17)14(2)19/h4-7,15H,3,8-13H2,1-2H3
InChIKeyMPMALWZGNWJICK-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]phenyl]ethanone
CID 60966894
1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
CID 55125855
N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine
CID 43478990
1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
CID 43426605
1-[2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 61434391
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 62547332
1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone
CID 115613776
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone (CID 60689525) is 1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone is CCCN(CCOc1ccccc1C(C)=O)CC1CC1.
What is the InChIKey of 1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone?
The InChIKey is MPMALWZGNWJICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-10-18(13-15-8-9-15)11-12-20-17-7-5-4-6-16(17)14(2)19/h4-7,15H,3,8-13H2,1-2H3.
What are the key properties of 1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone?
1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone is sourced from PubChem (CID 60689525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).